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Compound Detail

CHEMBL1823385

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Cc1cc([C@]2(O)CCC[C@@H]3CC[C@H]2N3)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1823385
Phase Preclinical
Structure Type MOL
InChI Key WSVQLAYQNDPDAM-FOGDFJRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
1.48
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N2O2
MW 222.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
21824774 10.1016/j.bmcl.2011.06.127 Unchecked 1
21824774 10.1016/j.bmcl.2011.06.127 Neuronal acetylcholine receptor subunit alpha-7 1
21824774 10.1016/j.bmcl.2011.06.127 Acetylcholine receptor subunit alpha 1
21824774 10.1016/j.bmcl.2011.06.127 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine